| 研究課題/領域番号 |
23K14154
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| 研究種目 |
若手研究
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| 配分区分 | 基金 |
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| 審査区分 |
小区分43040:生物物理学関連
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| 研究機関 | 東京工業大学 |
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研究代表者 |
TRAN PHUOC・DUY 東京工業大学, 生命理工学院, 助教 (50848546)
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| 研究期間 (年度) |
2023-04-01 – 2025-03-31
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| 研究課題ステータス |
交付 (2023年度)
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| 配分額 *注記 |
4,680千円 (直接経費: 3,600千円、間接経費: 1,080千円)
2024年度: 1,950千円 (直接経費: 1,500千円、間接経費: 450千円)
2023年度: 2,730千円 (直接経費: 2,100千円、間接経費: 630千円)
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| キーワード | Flagellar motor stators / MotA/B / Molecular dynamics / PaCS-MD / Flagellar stator MotAB |
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| 研究開始時の研究の概要 |
We’ll construct full-length models of Aquifex and E. coli MotA/B as well as Vibrio PomA/B based on the recently determined structures of the transmembrane region of MotA/B and already known structure of the periplasmic domain of MotB together with all-atom molecular dynamics simulation. Using these models and PaCS-MD/MSM, we’ll simulate permeation of sodium ion and proton through the complex with and without peptidoglycan layer and also simulate the rotation of MotA or PomA around MotB or PomB. After that, we’ll compare the mechanisms of MotA/B and PomA/B.
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| 研究実績の概要 |
We have thoroughly making the well-equilibrated Flagellar motors MotA/B of the Bacillus subtilis, Campilobacter Jejuni and Clostridium sporogenes by performing the multiple trials, long molecular dynamics simulation (MD). The MotA/B proteins are embeded on the lipid bilayer membrane alike to the bacteria membrane. After that, we have performed detailed analysis of the ions interacting to the MotA/B proteins. After that, we have used enhanced sampling technique to drive the ions moving from periplasm to cytoplasm. The results help us to distinguish key interaction residues on MotA/B proteins that help ions to go through periplasm to cytoplasm without being trapped.
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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
1: 当初の計画以上に進展している
理由
We have identified the ionic penetrating mechanism of the Bacillus subtilis MotA/B successfully and currently extend to complete for the other species.
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| 今後の研究の推進方策 |
In the future, we will remodel the full length of the MotB protein and identify the mechanism of the plug region as well as periplasmic domain of MotB contributing to the selectivity, ion penetrating or non-ion penetrating.
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